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Home > Nitro Compounds > 57125-43-6
57125-43-6 | 1-Nitro-4-[4-(pentyloxy)phenyl]benzene
CAS No: 57125-43-6 Catalog No: AG01EWHX MDL No:
Product Description
Catalog Number:
AG01EWHX
Chemical Name:
1-Nitro-4-[4-(pentyloxy)phenyl]benzene
CAS Number:
57125-43-6
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
IUPAC Name:
1-nitro-4-(4-pentoxyphenyl)benzene
InChI:
InChI=1S/C17H19NO3/c1-2-3-4-13-21-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(19)20/h5-12H,2-4,13H2,1H3
InChI Key:
ADKCMQFCGBUMEC-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.343g/mol
Monoisotopic Mass:
285.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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